3-(1,3-Dioxo-4-phenylbenzo[f]isoindol-2-yl)benzoic acid
Basic information
- CAS
5186-75-4- Standard SMILES
O=C(O)c1cccc(N2C(=O)c3cc4ccccc4c(-c4ccccc4)c3C2=O)c1- InChIKey
MFMLTGQVTHAILS-UHFFFAOYSA-N- Molecular formula
- C25H15NO4
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.10010796
Names & identifiers
- Preferred name
- 3-(1,3-Dioxo-4-phenylbenzo[f]isoindol-2-yl)benzoic acid
- IUPAC
- 3-(1,3-dioxo-4-phenylbenzo[f]isoindol-2-yl)benzoic acid
Names & synonyms
5186-75-43-(1,3-dioxo-4-phenylbenzo[f]isoindol-2-yl)benzoic acid3-(1,3-Dioxo-4-phenyl-1,3-dihydro-2H-benzo[f]isoindol-2-yl)benzoic acidCBMicro_013387Oprea1_437800DTXSID20416720SMSF0004284CB04066BIM-0013327.P001
Database identifiers
- CAS
5186-75-4- PubChem CID
- 5337773
- DTXSID
DTXSID20416720
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 699
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Compound notes
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